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Positron annihilation in vacancies at grain boundaries in metals |
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| Authors: | J. Kuriplach O. Melikhova M. Hou E. Zhurkin |
| Affiliation: | a Department of Low Temperature Physics, Faculty of Mathematics and Physics, Charles University in Prague, V Holešovi?kách 2, CZ-180 00 Prague 8, Czech Republic b Physique des Solides Irradiés et des Nanostructures CP234, Université Libre de Bruxelles, Bd du Triomphe, B-1050 Bruxelles, Belgium c Materials Science and Simulation, Paul Scherrer Institute, CH-5232 Villigen, Switzerland d Department of Experimental Nuclear Physics, St. Petersburg State Polytechnical University, Polytekhnicheskaya 29, 195251 St. Petersburg, Russia e Department of Chemistry, Faculty of Science, Masaryk University, Kotlá?ská 2, CZ-611 37 Brno, Czech Republic f Institute of Physics of Materials, Academy of Sciences of the Czech Republic, v.v.i., ?i?kova 22, CZ-616 62 Brno, Czech Republic |
| Abstract: | The behavior of vacancies in selected coherent grain boundaries (GBs) in Fe and Ni is studied by means of molecular dynamics simulations. Corresponding positron lifetimes are calculated using the atomic superposition method. There is a difference between the vacancy behavior in Fe and Ni in dependence on temperature. In Ni, vacancies at GBs appear to diminish substantially their free volume (and lifetime) with the increasing temperature, which can be attributed to ‘vacancy delocalization’. Contrary, GB vacancies remain stable up to apparently higher temperatures in Fe. |
| Keywords: | 78.70.Bj 61.72.Mm 61.72.Ji 71.60.+z |
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